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23349-22-6 | 2-Naphthalenebutanoic acid, α-methoxy-γ-oxo-, methyl ester
CAS No: 23349-22-6 Catalog No: AG002MXQ MDL No:
Product Description
Catalog Number:
AG002MXQ
Chemical Name:
2-Naphthalenebutanoic acid, α-methoxy-γ-oxo-, methyl ester
CAS Number:
23349-22-6
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
IUPAC Name:
methyl 2-methoxy-4-naphthalen-2-yl-4-oxobutanoate
InChI:
InChI=1S/C16H16O4/c1-19-15(16(18)20-2)10-14(17)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,10H2,1-2H3
InChI Key:
IWWVBJZJZNTSTR-UHFFFAOYSA-N
SMILES:
COC(C(=O)OC)CC(=O)c1ccc2c(c1)cccc2
NSC Number:
72405
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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